Nickel;bis(1-phenylbutane-1,3-dione)
TL;DR: Nickel;bis(1-phenylbutane-1,3-dione) (CAS 14552-54-6) is a chemical compound with molecular formula C20H20NiO4 and molecular weight 382.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nickel;bis(1-phenylbutane-1,3-dione)
Also Known As: Nickel,3-butanedionato-O,O')-, nickel;1-phenylbutane-1,3-dione
| Molecular Formula | C20H20NiO4 |
|---|---|
| Molecular Weight | 382.07 g/mol |
| LogP | 3.6943 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.0715 |
| Heavy Atoms | 25 |
| Complexity | 405.0 |
Chemical Identifiers
| CAS Number | 14552-54-6 |
|---|---|
| SMILES | CC(=O)CC(=O)C1=CC=CC=C1.CC(=O)CC(=O)C1=CC=CC=C1.[Ni] |
| InChIKey | ONFULSLEGLTKMQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nickel;bis(1-phenylbutane-1,3-dione) (CAS 14552-54-6), with molecular formula C20H20NiO4 and molecular weight 382.07 g/mol. IUPAC: nickel;bis(1-phenylbutane-1,3-dione).
Chemical Property Profile of Nickel;bis(1-phenylbutane-1,3-dione)
Property Insights of Nickel;bis(1-phenylbutane-1,3-dione)
The XLogP value of 3.6943 indicates that Nickel;bis(1-phenylbutane-1,3-dione) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Nickel;bis(1-phenylbutane-1,3-dione). Following Lipinski's Rule of Five, Nickel;bis(1-phenylbutane-1,3-dione) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nickel;bis(1-phenylbutane-1,3-dione)?
The CAS number of Nickel;bis(1-phenylbutane-1,3-dione) is 14552-54-6.
What is the molecular formula of Nickel;bis(1-phenylbutane-1,3-dione)?
The molecular formula of Nickel;bis(1-phenylbutane-1,3-dione) is C20H20NiO4.
What is the molecular weight of Nickel;bis(1-phenylbutane-1,3-dione)?
The molecular weight of Nickel;bis(1-phenylbutane-1,3-dione) is 382.07 g/mol.
Where can I buy Nickel;bis(1-phenylbutane-1,3-dione)?
You can request a quote for Nickel;bis(1-phenylbutane-1,3-dione) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nickel;bis(1-phenylbutane-1,3-dione)?
Yes, KEHONG BIO provides custom synthesis services for Nickel;bis(1-phenylbutane-1,3-dione) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.